Revealing the potential of double perovskite hydrides A2SiH6 (A = Li and Na) for solid-state hydrogen storage applications
Yazarlar (3)
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Aytac Erkisi Pamukkale Üniversitesi, Türkiye
Bugra Yildiz Hacettepe Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Energy Storage (Q1) | ||
| Dergi ISSN | 2352-152X Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2025 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 132 / 1 / – | DOI | 10.1016/j.est.2025.117957 |
| Makale Linki | https://doi.org/10.1016/j.est.2025.117957 | ||
| Özet |
| Hydrogen's potential as a clean energy source has made hydrogen storage a critical focus of modern research. Among candidate materials, advanced double perovskite hydrides have emerged as promising options for hydrogen storage applications due to their structural versatility and favorable physical properties. In this study, a comprehensive first-principles analysis was conducted to investigate the structural, mechanical, electronic, and hydrogen storage characteristics of A2SiH6 (A = Li and Na) double perovskite-type hydrides. The calculated tolerance factors indicate that both hydrides possess stable cubic perovskite structures, while their negative enthalpy of formation further validates their thermodynamic stability. Moreover, the AIMD simulations were performed to investigate the thermal stability of these compounds. Electronic band structure calculations revealed that both Li2SiH6 and Na2SiH6 exhibit … |
| Anahtar Kelimeler |
| Desorption temperatures | DFT | Double perovskites | HSE06 | Hydrogen storage |
Science Direct
Revealing the potential of double perovskite hydrides A2SiH6 (A = Li and Na) for solid-state hydrogen storage applications
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 10 |
| Scopus | 5 |